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3-[4-(2-methylpropyl)phenyl]prop-2-enoic acid

3-[4-(2-methylpropyl)phenyl]prop-2-enoic acid

CAS: 66734-95-0

Formula: C13H16O2

SMILES: CC(C)CC1=CC=C(C=CC(O)=O)C=C1

IUPAC: 3-[4-(2-methylpropyl)phenyl]prop-2-enoic acid

InChI: InChI=1S/C13H16O2/c1-10(2)9-12-5-3-11(4-6-12)7-8-13(14)15/h3-8,10H,9H2,1-2H3,(H,14,15)

Composition: C (76.44%), H (7.90%), O (15.66%)

Molar Mass: 204.269

Atom Count: 31

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 204.115029755
Formal Charge 0
FSP3 0.31
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey FFVQPPLMTMUAQD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.85
Topological Polar Surface Area 37.3
Polarizability 23.41
Ring Count 1
Rotatable Bond Count 4

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95% <2 Days 66734-95-0 $51.35-$120.18$51.35$63.37$75.38$86.31$120.18
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